Molecule FYI-1006013

Home > Molecule

A

Molecule Summary:

ID: FYI-1006013
Names:
InChIKey: GDLIGKIOYRNHDA-UHFFFAOYSA-N
SMILES: CN(C)CCCN3c1ccccc1CCc2ccc(Cl)cc23

Received at FYIcenter.com on: 2023-11-24

Molecule ID: FYI-1006013 Edit

Molecule Structure InChIKey: GDLIGKIOYRNHDA-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)CCCN3c1ccccc1CCc2ccc(Cl)cc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1006013
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
    9.5830    4.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3706    4.1259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3706    2.7259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1582    4.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9458    4.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7333    4.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5209    4.1259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3642    4.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6757    6.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    7.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3116    6.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0263    4.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5148    3.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2148    1.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5992    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9107    0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2486    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2748    0.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6126    0.5397    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9633    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6254    2.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
 22 21  2  0  0  0  0
 22  7  1  0  0  0  0
 22 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006013-3D
FYIcenter.com

 45 47  0     0  0  0  0  0  0999 V2000
    4.8378   -1.0542   -1.4359 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2091   -0.2626   -0.7880 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0534    3.9753    0.1824 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0906    0.7185   -1.8785 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9936   -0.7504   -0.2061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5369   -0.7066   -0.5580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0715   -1.5197    2.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2041   -0.5128    1.9330 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0721   -1.3577    1.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0559   -0.8398    0.7406 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4152    2.0592   -1.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4546    2.6787   -0.2487 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2034   -0.6816   -0.9485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3883   -1.0208   -1.6398 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3083   -1.8831    1.5237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3806   -1.2701    0.9357 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4166   -1.1872   -0.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7017   -1.4493   -1.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4686   -1.7953    0.7643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1988   -1.5731   -0.1487 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3864    3.8368    0.7719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8631    4.5958    1.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5064    0.3502   -2.7193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0614    0.9535   -2.3344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533   -2.5460    1.9659 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3326   -1.4143    3.0661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8153   -0.5776    2.8428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8363    0.5133    1.9039 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4712    2.7583   -2.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4428    1.9270   -0.9983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5225    2.0099    0.6070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4697    2.7970   -0.6486 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2298   -0.2464   -1.9435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0275   -0.9718   -2.6654 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3685   -2.3648    2.4986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7832   -1.3725    1.9406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3300   -1.6921   -2.2906 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3965   -2.2031    1.1547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2191   -1.9067    0.0142 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1446    3.6065    0.0176 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4194    3.0751    1.5595 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7075    4.7875    1.2150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5081    5.5931    1.4238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9759    3.9972    2.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8538    4.7333    0.6930 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3 12  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4 11  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  9  2  0  0  0  0
  5 13  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 17  2  0  0  0  0
 13 33  1  0  0  0  0
 14 18  1  0  0  0  0
 14 34  1  0  0  0  0
 15 19  2  0  0  0  0
 15 35  1  0  0  0  0
 16 20  1  0  0  0  0
 16 36  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-01, 1118👍, 0💬